10967/115 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

ID:t62
Name:2,2,4-trimethyl-1,3-pentanediol
Description:
Labels:Training
CAS:144-19-4
InChi Code:InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

ValueSource or prediction
-1

experimental value

0.9057

Tab2: Multilinear model for diverse chemicals (Training set)

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